Methinks this is sage reasoning on the part of Dr Dodson Good luck Steve
On May 27, 2017, at 6:46 AM, Eleanor Dodson <eleanor.dod...@york.ac.uk<mailto:eleanor.dod...@york.ac.uk>> wrote: no idea really - looks like a bug.. There is a limit on the Radius of gyration whch i thinks is < 0 .5 * shortest_cell_edge.. Probably it is chosen as 27.85, then re-adjusted to allow for anisptropy, and not properly trapped. You could try setting it yourself - there is a keyword - or ignore the "aniso correction" option eleanor On 26 May 2017 at 00:28, Dyda <d...@ulti.niddk.nih.gov<mailto:d...@ulti.niddk.nih.gov>> wrote: Dear All, Does anyone know by any chance what to do when Molrep crashes with: Radius of gyration : 27.85 WARNING: Radius of integration > 42.40 Radius of integration : 42.40 Resolution : 29.82 4.00 --- rfcoef for model --- --- rfcoef for Fobs --- NCS (from Self rotation Function): 1 ERROR: in RFROT: RF overflow ERR: in CALC_SRF This is with "anisothermal correction of Fobs" whatever that means. It runs fine with "default scaling". Data are very anisotropic, so "anisothermal correction of Fobs" sounded attractive. Thanks. Fred [32m******************************************************************************* Fred Dyda, Ph.D. Phone:301-402-4496 Laboratory of Molecular Biology Fax: 301-496-0201 DHHS/NIH/NIDDK e-mail:fred.d...@nih.gov<mailto:e-mail%3afred.d...@nih.gov> Bldg. 5. Room 303 Bethesda, MD 20892-0560 URGENT message e-mail: 2022476...@mms.att.net<mailto:2022476...@mms.att.net> Google maps coords: 39.000597, -77.102102 http://www2.niddk.nih.gov/NIDDKLabs/IntramuralFaculty/DydaFred ******************************************************************************* [m Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (2000 Galloping Hill Road, Kenilworth, New Jersey, USA 07033), and/or its affiliates Direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system.
